SCHEMBL3687537

SCHEMBL3687537

CN(C)CCNc1cccc(C=CC(=O)c2cc(-c3ccccc3)cc(N3CCN(C)CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.51
HDAC8 Q9BY41 13/20 0.51
HDAC6 Q9UBN7 13/20 0.51
HDAC3 O15379 12/20 0.51
HDAC4 P56524 12/20 0.51
HDAC7 Q8WUI4 12/20 0.51
HDAC2 Q92769 12/20 0.51
HDAC10 Q969S8 12/20 0.51
HDAC11 Q96DB2 12/20 0.51
HDAC9 Q9UKV0 12/20 0.51
HDAC5 Q9UQL6 12/20 0.51
PRKD1 Q15139 1/20 0.42
TLR9 Q9NR96 1/20 0.41
HTR7 P34969 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
PIM1 P11309 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3681703 1.00 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3681707 0.90 HDAC3 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3696555 0.84 HDAC4 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3696557 0.79 HDAC3 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3693788 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3687249 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3691571 0.77 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3686566 0.77 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3686696 0.76 HDAC3 (0.44) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3688721 0.76 HDAC3 (0.44) HDAC1HDAC8HDAC6HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed